SCHEMBL3217942

SCHEMBL3217942

O=C(Nn1ccc2cccnc21)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ HPGDS O60760 4/20 0.40
▸ SLC22A12 Q96S37 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ WNT3A P56704 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3221574 0.86 HPGDS (0.53) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL14312890 0.85 SLC22A12 (0.37) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL3219997 0.84 HPGDS (0.41) HPGDSTLR7WNT3AHDAC1HDAC6
SCHEMBL3219716 0.83 GRIN2B (0.41) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL3232257 0.82 HPGDS (0.41) HPGDSTLR7WNT3AEGLN1HDAC1
SCHEMBL14313002 0.80 HPGDS (0.41) JAK2JAK1TYK2JAK3HPGDS
SCHEMBL3222378 0.78 HPGDS (0.49) HPGDSSLC22A12PARP1
SCHEMBL3226747 0.77 HPGDS (0.43) HPGDSWNT3AEGLN1HDAC1HDAC6
SCHEMBL12083682 0.76 HPGDS (0.43) HPGDS
SCHEMBL12083762 0.76 HPGDS (0.43) HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 — — EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 JAK2 1345/4885JAK1 1231/4885TYK2 1811/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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